N2-(2-tert-butyl-1,3-benzothiazol-6-yl)-N6-[2-(4-fluorophenyl)propan-2-yl]-7H-purine-2,6-diamine

Systemtic Name: N2-(2-tert-butyl-1,3-benzothiazol-6-yl)-N6-[2-(4-fluorophenyl)propan-2-yl]-7H-purine-2,6-diamine Openeye Name: N2-(2-tert-butyl-1,3-benzothiazol-6-yl)-N6-[1-(4-fluorophenyl)-1-methyl-ethyl]-7H-purine-2,6-diamine CAS Name: N2-(2-tert-butyl-1,3-benzothiazol-6-yl)-N6-[2-(4-fluorophenyl)propan-2-yl]-7H-purine-2,6-diamine IUPAC Name: 2-N-(2-tert-butyl-1,3-benzothiazol-6-yl)-6-N-[2-(4-fluorophenyl)propan-2-yl]-7H-purine-2,6-diamine Traditional Name: (2-tert-butyl-1,3-benzothiazol-6-yl)-[6-[[1-(4-fluorophenyl)-1-methyl-ethyl]amino]-7H-purin-2-yl]amine Formula: C25H26FN7S MolecularWeight: 475.584243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(S1)C=C(C=C2)NC3=NC4=C(C(=N3)NC(C)(C)C5=CC=C(C=C5)F)NC=N4

Isomeric SMILES

CC(C)(C)C1=NC2=C(S1)C=C(C=C2)NC3=NC4=C(C(=N3)NC(C)(C)C5=CC=C(C=C5)F)NC=N4

InChI

InChI=1S/C25H26FN7S/c1-24(2,3)22-30-17-11-10-16(12-18(17)34-22)29-23-31-20-19(27-13-28-20)21(32-23)33-25(4,5)14-6-8-15(26)9-7-14/h6-13H,1-5H3,(H3,27,28,29,31,32,33)